[1-methoxy-2-(3-methoxyphenyl)ethylidene]azanylium chloride

• ChemBase ID: 802415
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: C(=[N+])(Cc1cc(ccc1)OC)OC.[Cl-]
• Canonical SMILES: COc1cccc(c1)CC(=[N+])OC.[Cl-]
• InChI: InChI=1S/C10H12NO2.ClH/c1-12-9-5-3-4-8(6-9)7-10(11)13-2;/h3-6H,7H2,1-2H3;1H/q+1;/p-1
• InChIKey: MVXZRIOUDXODPQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-methoxy-2-(3-methoxyphenyl)ethylidene]azanylium chloride
• IUPAC Traditional name: [1-methoxy-2-(3-methoxyphenyl)ethylidene]azanylium chloride
• Synonyms: 1-METHOXY-2-(3-METHOXYPHENYL)ETHANIMINIUM CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9681258
• LogD (pH = 7.4): 0.9681258
• Log P: 0.9681258
• Molar Refractivity: 48.8668 cm^3
• Polarizability: 19.495861 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%